4-chlorophenol

C6H5ClO — CID 4684

IUPAC4-chlorophenol
SMILESOc1ccc(Cl)cc1
InChIInChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKeyWXNZTHHGJRFXKQ-UHFFFAOYSA-N
MW128.56 g/mol
LogP2.05
Rot. Bonds

About 4-chlorophenol

4-chlorophenol (PubChem CID 4684) has the molecular formula C6H5ClO and a molecular weight of 128.56 g/mol. Its IUPAC name is 4-chlorophenol.

Molecular Properties

Compound Name4-chlorophenol
PubChem CID4684
Molecular FormulaC6H5ClO
Molecular Weight128.56 g/mol
Exact Mass128.00
IUPAC Name4-chlorophenol
SMILESOc1ccc(Cl)cc1
InChIInChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKeyWXNZTHHGJRFXKQ-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.56
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Phenol
CID 996
4-Chloro-3-methylphenol
CID 1732
2,4,6-Trichlorophenol
CID 6914
2,4-Dichlorophenol
CID 8449
2-Chlorophenol
CID 7245
4-Chloro-2-methylphenol
CID 14855
2,3-Dichlorophenol
CID 11334
3-Chlorophenol
CID 7933
2,5-Dichlorophenol
CID 66
3,4,5-Trichlorophenol
CID 11859
3,4-Dichlorophenol
CID 7258
2,6-Dichlorophenol
CID 6899

Frequently Asked Questions

What is the IUPAC name of 4-chlorophenol?
The IUPAC name of 4-chlorophenol (CID 4684) is 4-chlorophenol.
What is the SMILES notation for 4-chlorophenol?
The canonical SMILES for 4-chlorophenol is Oc1ccc(Cl)cc1.
What is the InChIKey of 4-chlorophenol?
The InChIKey is WXNZTHHGJRFXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H.
What are the key properties of 4-chlorophenol?
4-chlorophenol has a molecular weight of 128.56 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorophenol is sourced from PubChem (CID 4684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).